C221H220N8O19 — CID 158760784
2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethyl prop-2-enoate;2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]ethyl prop-2-enoate;3-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]propyl prop-2-enoate;2-[4-[N-(3,4-dimethylphenyl)-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl prop-2-enoate;2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl prop-2-enoate;3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propyl prop-2-enoate;[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl] prop-2-enoate;[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl] prop-2-enoate (PubChem CID 158760784) has the molecular formula C221H220N8O19 and a molecular weight of 3292.23 g/mol. Its IUPAC name is 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethyl prop-2-enoate;2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]ethyl prop-2-enoate;3-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]propyl prop-2-enoate;2-[4-[N-(3,4-dimethylphenyl)-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl prop-2-enoate;2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl prop-2-enoate;3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propyl prop-2-enoate;[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl] prop-2-enoate;[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl] prop-2-enoate.
| Compound Name | 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethyl prop-2-enoate;2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]ethyl prop-2-enoate;3-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]propyl prop-2-enoate;2-[4-[N-(3,4-dimethylphenyl)-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl prop-2-enoate;2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl prop-2-enoate;3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propyl prop-2-enoate;[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl] prop-2-enoate;[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl] prop-2-enoate |
|---|---|
| PubChem CID | 158760784 |
| Molecular Formula | C221H220N8O19 |
| Molecular Weight | 3292.23 g/mol |
| Exact Mass | 3289.65 |
| IUPAC Name | 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethyl prop-2-enoate;2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]ethyl prop-2-enoate;3-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]propyl prop-2-enoate;2-[4-[N-(3,4-dimethylphenyl)-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl prop-2-enoate;2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl prop-2-enoate;3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propyl prop-2-enoate;[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl] prop-2-enoate;[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl] prop-2-enoate |
| SMILES | C=CC(=O)OCCCc1ccc(N(c2ccc(C)c(C)c2)c2ccc(C)c(C)c2)cc1.C=CC(=O)OCCCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.C=CC(=O)OCCOc1ccc(N(c2ccc(C)c(C)c2)c2ccc(C)c(C)c2)cc1.C=CC(=O)OCCc1ccc(N(c2ccc(C)c(C)c2)c2ccc(C)c(C)c2)cc1.C=CC(=O)OCCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.C=CC(=O)OCCc1ccc(N(c2ccc(CCOC(=O)C=C)cc2)c2ccc(C)c(C)c2)cc1.C=CC(=O)Oc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.C=CC(=O)Oc1ccc(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C30H31NO4.C29H25NO2.C29H23NO2.C28H31NO2.C27H29NO3.C27H29NO2.C26H27NO2.C25H25NO2/c1-5-29(32)34-19-17-24-8-13-26(14-9-24)31(28-12-7-22(3)23(4)21-28)27-15-10-25(11-16-27)18-20-35-30(33)6-2;2*1-2-29(31)32-28-21-17-24(18-22-28)14-13-23-15-19-27(20-16-23)30(25-9-5-3-6-10-25)26-11-7-4-8-12-26;1-6-28(30)31-17-7-8-24-11-15-25(16-12-24)29(26-13-9-20(2)22(4)18-26)27-14-10-21(3)23(5)19-27;1-6-27(29)31-16-15-30-26-13-11-23(12-14-26)28(24-9-7-19(2)21(4)17-24)25-10-8-20(3)22(5)18-25;1-6-27(29)30-16-15-23-9-13-24(14-10-23)28(25-11-7-19(2)21(4)17-25)26-12-8-20(3)22(5)18-26;1-4-26(28)29-19-5-6-22-11-17-25(18-12-22)27(23-13-7-20(2)8-14-23)24-15-9-21(3)10-16-24;1-4-25(27)28-18-17-21-9-15-24(16-10-21)26(22-11-5-19(2)6-12-22)23-13-7-20(3)8-14-23/h5-16,21H,1-2,17-20H2,3-4H3;2-12,15-22H,1,13-14H2;2-22H,1H2;6,9-16,18-19H,1,7-8,17H2,2-5H3;6-14,17-18H,1,15-16H2,2-5H3;6-14,17-18H,1,15-16H2,2-5H3;4,7-18H,1,5-6,19H2,2-3H3;4-16H,1,17-18H2,2-3H3/b;;14-13+;;;;; |
| InChIKey | IOQGJDAFUQNYHA-OSJYRCSRSA-N |
| XLogP | 53.46 |
| TPSA | 271.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 248 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3292.23 |
| LogP ≤ 5 | 53.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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